3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H27N3O3/c1-14(2)24(20(25)16-11-9-15(3)10-12-16)19-18(21(26)27)13-23(22-19)17-7-5-4-6-8-17/h4-8,13-16H,9-12H2,1-3H3,(H,26,27)